ChemSpider 2D Image | 1-[(3aS,4aS,4bS,6S,10aS,11S,12aS,12bS)-6,10b-Difluoro-11-hydroxy-2,2,10a,12a-tetramethyl-8,10-disulfanyl-3a,4,4a,4b,5,6,7a,8,9,10a,10b,11,12,12a-tetradecahydro-12bH-cyclobuta[6',7']naphtho[2',1':4,5]i ndeno[1,2-d][1,3]dioxol-12b-yl]-2-hydroxyethanone | C26H34F2O5S2

1-[(3aS,4aS,4bS,6S,10aS,11S,12aS,12bS)-6,10b-Difluoro-11-hydroxy-2,2,10a,12a-tetramethyl-8,10-disulfanyl-3a,4,4a,4b,5,6,7a,8,9,10a,10b,11,12,12a-tetradecahydro-12bH-cyclobuta[6',7']naphtho[2',1':4,5]i ndeno[1,2-d][1,3]dioxol-12b-yl]-2-hydroxyethanone

  • Molecular FormulaC26H34F2O5S2
  • Average mass528.672 Da
  • Monoisotopic mass528.181580 Da
  • ChemSpider ID166276

  • defined stereocentres - 8 of 11 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-[(3aS,4aS,4bS,6S,10aS,11S,12aS,12bS)-6,10b-Difluor-11-hydroxy-2,2,10a,12a-tetramethyl-8,10-disulfanyl-3a,4,4a,4b,5,6,7a,8,9,10a,10b,11,12,12a-tetradecahydro-12bH-cyclobuta[6',7']naphtho[2',1':4,5]in deno[1,2-d][1,3]dioxol-12b-yl]-2-hydroxyethanon [German] [ACD/IUPAC Name]
1-[(3aS,4aS,4bS,6S,10aS,11S,12aS,12bS)-6,10b-Difluoro-11-hydroxy-2,2,10a,12a-tetramethyl-8,10-disulfanyl-3a,4,4a,4b,5,6,7a,8,9,10a,10b,11,12,12a-tetradecahydro-12bH-cyclobuta[6',7']naphtho[2',1':4,5]i ndeno[1,2-d][1,3]dioxol-12b-yl]-2-hydroxyethanone [ACD/IUPAC Name]
1-[(3aS,4aS,4bS,6S,10aS,11S,12aS,12bS)-6,10b-Difluoro-11-hydroxy-2,2,10a,12a-tétraméthyl-8,10-disulfanyl-3a,4,4a,4b,5,6,7a,8,9,10a,10b,11,12,12a-tétradécahydro-12bH-cyclobuta[6',7']naphto[2',1':4,5]in déno[1,2-d][1,3]dioxol-12b-yl]-2-hydroxyéthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[(3aS,4aS,4bS,6S,10aS,11S,12aS,12bS)-6,10b-difluoro-3a,4,4a,4b,5,6,7a,8,9,10a,10b,11,12,12a-tetradecahydro-11-hydroxy-8,10-dimercapto-2,2,10a,12a-tetramethyl-12bH-cyclobuta[6',7']naphth[2' ,1':4,5]indeno[1,2-d]-1,3-dioxol-12b-yl]-2-hydroxy- [ACD/Index Name]
1-[(3as,4as,4bs,6s,10as,11s,12as,12bs)-6,10b-difluoro-11-hydroxy-2,2,10a,12a-tetramethyl-8,10-disulfanyl-3a,4,4a,4b,5,6,7a,8,9,10a,10b,11,12,12a-tetradecahydro-12bh-cyclobuta[6',7']naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-12b-yl]-2-hydroxyethanone
58212-88-7 [RN]
6α,9-Difluoro-11β,16α,17,21-tetrahydroxypregna-1,4-diene-3,20-dione 3-ethylenedithioketal 16,17-acetonide
Pregna-1,4-diene-3,20-dione, 6,9-difluoro-11,21-dihydroxy-16,17-((1-methylethylidene)bis(oxy))-, cyclic 3-(1,2-ethanediyl mercaptole), (6α,11β,16α)-

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Orf 10703 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 644.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 109.0±6.0 kJ/mol
Flash Point: 343.7±31.5 °C
Index of Refraction: 1.619
Molar Refractivity: 131.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 4.83
ACD/LogD (pH 5.5): 4.67
ACD/BCF (pH 5.5): 2078.91
ACD/KOC (pH 5.5): 8208.53
ACD/LogD (pH 7.4): 4.29
ACD/BCF (pH 7.4): 860.64
ACD/KOC (pH 7.4): 3398.23
Polar Surface Area: 154 Å2
Polarizability: 52.3±0.5 10-24cm3
Surface Tension: 56.3±5.0 dyne/cm
Molar Volume: 376.0±5.0 cm3

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